ethanedioic acid; 1-phenyl-4-[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-phenyl-4-[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-4-yl]piperazine Openeye Name: 1-[1-(1-benzyl-4-piperidyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid CAS Name: oxalic acid; 1-phenyl-4-[1-[1-(phenylmethyl)-4-piperidinyl]-4-piperidinyl]piperazine IUPAC Name: 1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-[1-(1-benzyl-4-piperidyl)-4-piperidyl]-4-phenyl-piperazine; oxalic acid Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H38N4.C2H2O4/c1-3-7-24(8-4-1)23-28-15-11-26(12-16-28)29-17-13-27(14-18-29)31-21-19-30(20-22-31)25-9-5-2-6-10-25;3-1(4)2(5)6/h1-10,26-27H,11-23H2;(H,3,4)(H,5,6)